Sorbic Acid

Details

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Internal ID 4a8d011c-c7cd-48b8-ad6d-196e2a6b74c1
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name (2E,4E)-hexa-2,4-dienoic acid
SMILES (Canonical) CC=CC=CC(=O)O
SMILES (Isomeric) C/C=C/C=C/C(=O)O
InChI InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
InChI Key WSWCOQWTEOXDQX-MQQKCMAXSA-N
Popularity 1,766 references in papers

Physical and Chemical Properties

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Molecular Formula C6H8O2
Molecular Weight 112.13 g/mol
Exact Mass 112.052429494 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 1.30

Synonyms

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110-44-1
(2E,4E)-hexa-2,4-dienoic acid
2,4-Hexadienoic acid
Hexa-2,4-dienoic acid
2E,4E-Hexadienoic acid
Panosorb
Sorbistat
2-Propenylacrylic acid
Hexadienoic acid
trans,trans-Sorbic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Sorbic Acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 85.52% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.06% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Foeniculum vulgare
Prunus domestica
Schisandra chinensis

Cross-Links

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PubChem 643460
NPASS NPC63598
ChEMBL CHEMBL250212
LOTUS LTS0175104
wikiData Q407131